5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide

C13H27N3O2 — CID 64583347

IUPAC5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CCCN1CCC(COC)C1)C(N)=O
InChIInChI=1S/C13H27N3O2/c1-13(15-2,12(14)17)6-4-7-16-8-5-11(9-16)10-18-3/h11,15H,4-10H2,1-3H3,(H2,14,17)
InChIKeyIEPNLYNPECSXSW-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds8

About 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide

5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide (PubChem CID 64583347) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
PubChem CID64583347
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CCCN1CCC(COC)C1)C(N)=O
InChIInChI=1S/C13H27N3O2/c1-13(15-2,12(14)17)6-4-7-16-8-5-11(9-16)10-18-3/h11,15H,4-10H2,1-3H3,(H2,14,17)
InChIKeyIEPNLYNPECSXSW-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
CID 64583750
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
CID 106588668
2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanamide
CID 79175376
2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexanamide
CID 79163911
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
CID 106712150
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine
CID 65254280
ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 64582135
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)propanamide
CID 64581749
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
CID 63971026
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
CID 64581948

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide (CID 64583347) is 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide is CNC(C)(CCCN1CCC(COC)C1)C(N)=O.
What is the InChIKey of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide?
The InChIKey is IEPNLYNPECSXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(15-2,12(14)17)6-4-7-16-8-5-11(9-16)10-18-3/h11,15H,4-10H2,1-3H3,(H2,14,17).
What are the key properties of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide?
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 64583347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).